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acetamide, N-[4-(acetylamino)phenyl]-2-[[3,5,6,7-tetrahydro-4-oxo-3-(2-propenyl)-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-
SpectraBase Compound ID HpKMN5a7Kjx
InChI InChI=1S/C22H22N4O3S2/c1-3-11-26-21(29)19-16-5-4-6-17(16)31-20(19)25-22(26)30-12-18(28)24-15-9-7-14(8-10-15)23-13(2)27/h3,7-10H,1,4-6,11-12H2,2H3,(H,23,27)(H,24,28)
InChIKey FZDDXIDOYNTPFF-UHFFFAOYSA-N
Mol Weight 454.56 g/mol
Molecular Formula C22H22N4O3S2
Exact Mass 454.113333 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GC4gAg61s1D
Name acetamide, N-[4-(acetylamino)phenyl]-2-[[3,5,6,7-tetrahydro-4-oxo-3-(2-propenyl)-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H22N4O3S2/c1-3-11-26-21(29)19-16-5-4-6-17(16)31-20(19)25-22(26)30-12-18(28)24-15-9-7-14(8-10-15)23-13(2)27/h3,7-10H,1,4-6,11-12H2,2H3,(H,23,27)(H,24,28)
InChIKey FZDDXIDOYNTPFF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1030
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11228755